(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H23Cl2N7S — CID 156901251

About (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 156901251) has the molecular formula C25H23Cl2N7S and a molecular weight of 524.48 g/mol. Its IUPAC name is (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 156901251
• Molecular Formula: C25H23Cl2N7S
• Molecular Weight: 524.48 g/mol
• Exact Mass: 523.11
• IUPAC Name: (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cc(Cl)ccc4[C@H]5N)cnc3n2)c1Cl
• InChI: InChI=1S/C25H23Cl2N7S/c26-15-1-2-16-14(11-15)12-25(22(16)28)6-9-34(10-7-25)19-13-31-24-17(32-19)3-4-20(33-24)35-18-5-8-30-23(29)21(18)27/h1-5,8,11,13,22H,6-7,9-10,12,28H2,(H2,29,30)/t22-/m1/s1
• InChIKey: YPLHAXDRIIJALD-JOCHJYFZSA-N
• XLogP: 5.30
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.48
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 156901251) is (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cc(Cl)ccc4[C@H]5N)cnc3n2)c1Cl.

What is the InChIKey of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is YPLHAXDRIIJALD-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23Cl2N7S/c26-15-1-2-16-14(11-15)12-25(22(16)28)6-9-34(10-7-25)19-13-31-24-17(32-19)3-4-20(33-24)35-18-5-8-30-23(29)21(18)27/h1-5,8,11,13,22H,6-7,9-10,12,28H2,(H2,29,30)/t22-/m1/s1.

What are the key properties of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 524.48 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 156901251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).